8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide

C35H49N3O4 — CID 67563567

IUPAC8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide
SMILESCCCCN(CCCC)C(=O)CCCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C35H49N3O4/c1-5-7-23-37(24-8-6-2)34(40)19-15-10-9-11-16-22-36-33(39)26-30-27(3)38(35(41)28-17-13-12-14-18-28)32-21-20-29(42-4)25-31(30)32/h12-14,17-18,20-21,25H,5-11,15-16,19,22-24,26H2,1-4H3,(H,36,39)
InChIKeyYHJGPWUPXLURRQ-UHFFFAOYSA-N
MW575.79 g/mol
LogP7.07
Rot. Bonds18

About 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide

8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide (PubChem CID 67563567) has the molecular formula C35H49N3O4 and a molecular weight of 575.79 g/mol. Its IUPAC name is 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide.

Molecular Properties

Compound Name8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide
PubChem CID67563567
Molecular FormulaC35H49N3O4
Molecular Weight575.79 g/mol
Exact Mass575.37
IUPAC Name8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide
SMILESCCCCN(CCCC)C(=O)CCCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C35H49N3O4/c1-5-7-23-37(24-8-6-2)34(40)19-15-10-9-11-16-22-36-33(39)26-30-27(3)38(35(41)28-17-13-12-14-18-28)32-21-20-29(42-4)25-31(30)32/h12-14,17-18,20-21,25H,5-11,15-16,19,22-24,26H2,1-4H3,(H,36,39)
InChIKeyYHJGPWUPXLURRQ-UHFFFAOYSA-N
XLogP7.07
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.79
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide with MolForge

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Related Compounds

N-(4-acetamidobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 59342785
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-methoxypropyl)acetamide
CID 27556066
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186
7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide
CID 67563519
N-butyl-2-[[2-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]acetyl]amino]-N-methylheptanamide
CID 67563555
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329
N-[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 71293802
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
CID 21313355
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethyl selenocyanate
CID 134689877
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 4857725
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide?
The IUPAC name of 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide (CID 67563567) is 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide.
What is the SMILES notation for 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide?
The canonical SMILES for 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide is CCCCN(CCCC)C(=O)CCCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccccc2)c2ccc(OC)cc12.
What is the InChIKey of 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide?
The InChIKey is YHJGPWUPXLURRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49N3O4/c1-5-7-23-37(24-8-6-2)34(40)19-15-10-9-11-16-22-36-33(39)26-30-27(3)38(35(41)28-17-13-12-14-18-28)32-21-20-29(42-4)25-31(30)32/h12-14,17-18,20-21,25H,5-11,15-16,19,22-24,26H2,1-4H3,(H,36,39).
What are the key properties of 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide?
8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide has a molecular weight of 575.79 g/mol, XLogP of 7.07, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide is sourced from PubChem (CID 67563567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).